USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= -1.19 (180deg=-1.58) USER MOD Single : A 12 LYS NZ :NH3+ 148:sc= -1.26 (180deg=-2.99!) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -0.657 (180deg=-0.669) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0019 (180deg=-0.102) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 146:sc= -10.4! USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= -0.729 (180deg=-0.952) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -1.39 (180deg=-2.23!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0887) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.190 -4.462 6.542 1.00 0.00 N ATOM 11 CA SER A 2 -16.815 -3.443 5.702 1.00 0.00 C ATOM 12 C SER A 2 -15.846 -2.297 5.425 1.00 0.00 C ATOM 13 O SER A 2 -15.386 -2.121 4.297 1.00 0.00 O ATOM 14 CB SER A 2 -18.084 -2.906 6.367 1.00 0.00 C ATOM 15 OG SER A 2 -19.108 -2.688 5.410 1.00 0.00 O ATOM 0 HA SER A 2 -17.083 -3.907 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.431 -3.613 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.860 -1.973 6.884 1.00 0.00 H new ATOM 0 HG SER A 2 -19.909 -2.347 5.860 1.00 0.00 H new ATOM 21 N ARG A 3 -15.540 -1.523 6.459 1.00 0.00 N ATOM 22 CA ARG A 3 -14.626 -0.395 6.325 1.00 0.00 C ATOM 23 C ARG A 3 -13.187 -0.877 6.169 1.00 0.00 C ATOM 24 O ARG A 3 -12.409 -0.301 5.409 1.00 0.00 O ATOM 25 CB ARG A 3 -14.739 0.529 7.540 1.00 0.00 C ATOM 26 CG ARG A 3 -14.482 -0.171 8.864 1.00 0.00 C ATOM 27 CD ARG A 3 -13.089 0.131 9.392 1.00 0.00 C ATOM 28 NE ARG A 3 -13.037 1.411 10.095 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.644 1.644 11.257 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.350 0.688 11.848 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.544 2.835 11.830 1.00 0.00 N ATOM 0 H ARG A 3 -15.911 -1.656 7.400 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.903 0.161 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.030 1.349 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.736 0.970 7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.226 0.146 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.599 -1.247 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.776 -0.666 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.382 0.143 8.563 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.505 2.170 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.430 -0.231 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.813 0.872 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.002 3.573 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.009 3.013 12.720 1.00 0.00 H new ATOM 45 N VAL A 4 -12.841 -1.937 6.892 1.00 0.00 N ATOM 46 CA VAL A 4 -11.496 -2.496 6.831 1.00 0.00 C ATOM 47 C VAL A 4 -11.260 -3.215 5.507 1.00 0.00 C ATOM 48 O VAL A 4 -10.216 -3.046 4.875 1.00 0.00 O ATOM 49 CB VAL A 4 -11.242 -3.485 7.985 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.779 -3.897 8.022 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.667 -2.882 9.315 1.00 0.00 C ATOM 0 H VAL A 4 -13.473 -2.426 7.526 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.804 -1.659 6.920 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.844 -4.377 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.618 -4.596 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.512 -4.377 7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.156 -3.015 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.479 -3.597 10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.097 -1.972 9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.730 -2.644 9.284 1.00 0.00 H new ATOM 61 N LYS A 5 -12.235 -4.019 5.090 1.00 0.00 N ATOM 62 CA LYS A 5 -12.129 -4.763 3.840 1.00 0.00 C ATOM 63 C LYS A 5 -11.942 -3.814 2.662 1.00 0.00 C ATOM 64 O LYS A 5 -11.100 -4.044 1.799 1.00 0.00 O ATOM 65 CB LYS A 5 -13.370 -5.633 3.625 1.00 0.00 C ATOM 66 CG LYS A 5 -13.496 -6.184 2.212 1.00 0.00 C ATOM 67 CD LYS A 5 -12.260 -6.968 1.805 1.00 0.00 C ATOM 68 CE LYS A 5 -12.338 -8.413 2.272 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.948 -9.297 1.240 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.106 -4.171 5.599 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.255 -5.411 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.345 -6.465 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.259 -5.046 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.373 -6.828 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.653 -5.362 1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.151 -6.940 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.373 -6.496 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.337 -8.772 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.924 -8.467 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.983 -10.273 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.913 -8.970 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.375 -9.265 0.373 1.00 0.00 H new ATOM 83 N ALA A 6 -12.729 -2.744 2.636 1.00 0.00 N ATOM 84 CA ALA A 6 -12.640 -1.761 1.564 1.00 0.00 C ATOM 85 C ALA A 6 -11.224 -1.207 1.471 1.00 0.00 C ATOM 86 O ALA A 6 -10.722 -0.928 0.383 1.00 0.00 O ATOM 87 CB ALA A 6 -13.640 -0.639 1.793 1.00 0.00 C ATOM 0 H ALA A 6 -13.434 -2.536 3.343 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.881 -2.250 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.562 0.088 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.649 -1.050 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.426 -0.149 2.743 1.00 0.00 H new ATOM 93 N LEU A 7 -10.589 -1.063 2.627 1.00 0.00 N ATOM 94 CA LEU A 7 -9.227 -0.557 2.706 1.00 0.00 C ATOM 95 C LEU A 7 -8.274 -1.441 1.908 1.00 0.00 C ATOM 96 O LEU A 7 -7.381 -0.949 1.220 1.00 0.00 O ATOM 97 CB LEU A 7 -8.787 -0.512 4.169 1.00 0.00 C ATOM 98 CG LEU A 7 -7.986 0.720 4.574 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.644 0.746 3.858 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.773 1.990 4.286 1.00 0.00 C ATOM 0 H LEU A 7 -11.002 -1.293 3.531 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.201 0.447 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.674 -0.571 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.188 -1.398 4.378 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.800 0.670 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.087 1.633 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.075 -0.146 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.807 0.770 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.184 2.858 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.993 2.048 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.706 1.975 4.849 1.00 0.00 H new ATOM 112 N GLU A 8 -8.470 -2.748 2.018 1.00 0.00 N ATOM 113 CA GLU A 8 -7.633 -3.722 1.323 1.00 0.00 C ATOM 114 C GLU A 8 -7.792 -3.625 -0.197 1.00 0.00 C ATOM 115 O GLU A 8 -6.856 -3.900 -0.944 1.00 0.00 O ATOM 116 CB GLU A 8 -7.964 -5.142 1.808 1.00 0.00 C ATOM 117 CG GLU A 8 -8.989 -5.880 0.955 1.00 0.00 C ATOM 118 CD GLU A 8 -8.360 -6.575 -0.238 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.749 -7.647 -0.045 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.479 -6.047 -1.364 1.00 0.00 O ATOM 0 H GLU A 8 -9.208 -3.163 2.587 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.593 -3.496 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.044 -5.726 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.335 -5.085 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.505 -6.617 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.742 -5.174 0.605 1.00 0.00 H new ATOM 127 N GLU A 9 -8.987 -3.254 -0.644 1.00 0.00 N ATOM 128 CA GLU A 9 -9.273 -3.143 -2.072 1.00 0.00 C ATOM 129 C GLU A 9 -8.491 -2.008 -2.729 1.00 0.00 C ATOM 130 O GLU A 9 -8.044 -2.133 -3.867 1.00 0.00 O ATOM 131 CB GLU A 9 -10.773 -2.930 -2.291 1.00 0.00 C ATOM 132 CG GLU A 9 -11.577 -4.220 -2.299 1.00 0.00 C ATOM 133 CD GLU A 9 -12.051 -4.604 -3.687 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.555 -3.718 -4.409 1.00 0.00 O ATOM 135 OE2 GLU A 9 -11.917 -5.791 -4.053 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.775 -3.025 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.958 -4.076 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.157 -2.277 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.923 -2.412 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.967 -5.026 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.440 -4.110 -1.642 1.00 0.00 H new ATOM 142 N LYS A 10 -8.347 -0.894 -2.019 1.00 0.00 N ATOM 143 CA LYS A 10 -7.636 0.270 -2.547 1.00 0.00 C ATOM 144 C LYS A 10 -6.124 0.045 -2.616 1.00 0.00 C ATOM 145 O LYS A 10 -5.456 0.552 -3.516 1.00 0.00 O ATOM 146 CB LYS A 10 -7.942 1.504 -1.695 1.00 0.00 C ATOM 147 CG LYS A 10 -7.476 1.390 -0.252 1.00 0.00 C ATOM 148 CD LYS A 10 -7.079 2.744 0.313 1.00 0.00 C ATOM 149 CE LYS A 10 -5.609 3.041 0.065 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.311 3.196 -1.385 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.713 -0.770 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.989 0.429 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.469 2.374 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.017 1.683 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.272 0.960 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.628 0.708 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.691 3.523 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.280 2.766 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.329 3.953 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.001 2.235 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.455 3.774 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.158 2.259 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.112 3.663 -1.856 1.00 0.00 H new ATOM 164 N VAL A 11 -5.591 -0.693 -1.650 1.00 0.00 N ATOM 165 CA VAL A 11 -4.155 -0.959 -1.586 1.00 0.00 C ATOM 166 C VAL A 11 -3.664 -1.804 -2.761 1.00 0.00 C ATOM 167 O VAL A 11 -2.613 -1.526 -3.337 1.00 0.00 O ATOM 168 CB VAL A 11 -3.788 -1.674 -0.270 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.280 -1.816 -0.133 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.373 -0.928 0.923 1.00 0.00 C ATOM 0 H VAL A 11 -6.131 -1.120 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.663 0.012 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.218 -2.675 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.046 -2.323 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.892 -2.399 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.820 -0.828 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.104 -1.446 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.975 0.087 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.458 -0.890 0.832 1.00 0.00 H new ATOM 180 N LYS A 12 -4.416 -2.844 -3.098 1.00 0.00 N ATOM 181 CA LYS A 12 -4.046 -3.737 -4.190 1.00 0.00 C ATOM 182 C LYS A 12 -4.166 -3.048 -5.538 1.00 0.00 C ATOM 183 O LYS A 12 -3.341 -3.257 -6.428 1.00 0.00 O ATOM 184 CB LYS A 12 -4.901 -5.004 -4.166 1.00 0.00 C ATOM 185 CG LYS A 12 -4.081 -6.282 -4.223 1.00 0.00 C ATOM 186 CD LYS A 12 -4.150 -7.048 -2.912 1.00 0.00 C ATOM 187 CE LYS A 12 -4.135 -8.550 -3.143 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.669 -9.293 -1.941 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.288 -3.091 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.002 -4.015 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.506 -5.009 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.591 -4.985 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.445 -6.913 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.043 -6.039 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.307 -6.768 -2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.057 -6.771 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.137 -8.886 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.485 -8.781 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.146 -10.216 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.641 -9.437 -1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.894 -8.746 -1.086 1.00 0.00 H new ATOM 202 N ALA A 13 -5.190 -2.220 -5.686 1.00 0.00 N ATOM 203 CA ALA A 13 -5.399 -1.501 -6.932 1.00 0.00 C ATOM 204 C ALA A 13 -4.161 -0.686 -7.262 1.00 0.00 C ATOM 205 O ALA A 13 -3.762 -0.577 -8.422 1.00 0.00 O ATOM 206 CB ALA A 13 -6.622 -0.603 -6.831 1.00 0.00 C ATOM 0 H ALA A 13 -5.884 -2.031 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.575 -2.219 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.763 -0.073 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.503 -1.210 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.478 0.118 -6.027 1.00 0.00 H new ATOM 212 N LEU A 14 -3.537 -0.140 -6.225 1.00 0.00 N ATOM 213 CA LEU A 14 -2.318 0.639 -6.399 1.00 0.00 C ATOM 214 C LEU A 14 -1.159 -0.271 -6.778 1.00 0.00 C ATOM 215 O LEU A 14 -0.240 0.136 -7.476 1.00 0.00 O ATOM 216 CB LEU A 14 -1.974 1.422 -5.135 1.00 0.00 C ATOM 217 CG LEU A 14 -1.231 2.735 -5.392 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.571 3.765 -4.328 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.271 2.494 -5.456 1.00 0.00 C ATOM 0 H LEU A 14 -3.854 -0.222 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.491 1.353 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.895 1.639 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.364 0.793 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.554 3.130 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.031 4.690 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.643 3.960 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.283 3.385 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.784 3.438 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.613 2.073 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.494 1.797 -6.264 1.00 0.00 H new ATOM 231 N GLU A 15 -1.210 -1.504 -6.295 1.00 0.00 N ATOM 232 CA GLU A 15 -0.167 -2.487 -6.561 1.00 0.00 C ATOM 233 C GLU A 15 0.070 -2.669 -8.060 1.00 0.00 C ATOM 234 O GLU A 15 1.203 -2.837 -8.505 1.00 0.00 O ATOM 235 CB GLU A 15 -0.556 -3.826 -5.937 1.00 0.00 C ATOM 236 CG GLU A 15 0.592 -4.810 -5.857 1.00 0.00 C ATOM 237 CD GLU A 15 0.187 -6.216 -6.257 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.271 -6.398 -7.404 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.327 -7.134 -5.421 1.00 0.00 O ATOM 0 H GLU A 15 -1.971 -1.851 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 15 0.760 -2.122 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.945 -3.651 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.364 -4.269 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.401 -4.471 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.983 -4.824 -4.839 1.00 0.00 H new ATOM 246 N GLU A 16 -1.013 -2.649 -8.823 1.00 0.00 N ATOM 247 CA GLU A 16 -0.952 -2.826 -10.273 1.00 0.00 C ATOM 248 C GLU A 16 -0.231 -1.668 -10.952 1.00 0.00 C ATOM 249 O GLU A 16 0.454 -1.855 -11.955 1.00 0.00 O ATOM 250 CB GLU A 16 -2.362 -2.967 -10.848 1.00 0.00 C ATOM 251 CG GLU A 16 -3.007 -4.312 -10.553 1.00 0.00 C ATOM 252 CD GLU A 16 -3.570 -4.975 -11.796 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.775 -5.508 -12.597 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.808 -4.960 -11.966 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.956 -2.511 -8.460 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.386 -3.736 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.992 -2.175 -10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.322 -2.822 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.269 -4.972 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.807 -4.175 -9.825 1.00 0.00 H new ATOM 261 N LYS A 17 -0.394 -0.471 -10.406 1.00 0.00 N ATOM 262 CA LYS A 17 0.243 0.714 -10.966 1.00 0.00 C ATOM 263 C LYS A 17 1.756 0.672 -10.761 1.00 0.00 C ATOM 264 O LYS A 17 2.515 1.227 -11.555 1.00 0.00 O ATOM 265 CB LYS A 17 -0.357 1.994 -10.363 1.00 0.00 C ATOM 266 CG LYS A 17 0.087 2.293 -8.938 1.00 0.00 C ATOM 267 CD LYS A 17 0.540 3.736 -8.782 1.00 0.00 C ATOM 268 CE LYS A 17 -0.549 4.714 -9.197 1.00 0.00 C ATOM 269 NZ LYS A 17 -1.688 4.715 -8.238 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.961 -0.294 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 17 0.051 0.723 -12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.089 2.839 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.444 1.913 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.735 2.093 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.902 1.624 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.819 3.920 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.431 3.905 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.129 5.718 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.912 4.453 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.401 5.406 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.115 3.767 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.344 4.972 -7.291 1.00 0.00 H new ATOM 283 N VAL A 18 2.185 0.025 -9.680 1.00 0.00 N ATOM 284 CA VAL A 18 3.606 -0.072 -9.356 1.00 0.00 C ATOM 285 C VAL A 18 4.359 -0.972 -10.337 1.00 0.00 C ATOM 286 O VAL A 18 5.434 -0.614 -10.816 1.00 0.00 O ATOM 287 CB VAL A 18 3.814 -0.607 -7.925 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.285 -0.576 -7.545 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.984 0.193 -6.931 1.00 0.00 C ATOM 0 H VAL A 18 1.569 -0.440 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 18 4.008 0.938 -9.431 1.00 0.00 H new ATOM 0 HB VAL A 18 3.480 -1.644 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.407 -0.958 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.853 -1.197 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.652 0.449 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.143 -0.198 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.286 1.240 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.928 0.111 -7.189 1.00 0.00 H new ATOM 299 N LYS A 19 3.795 -2.139 -10.627 1.00 0.00 N ATOM 300 CA LYS A 19 4.424 -3.081 -11.548 1.00 0.00 C ATOM 301 C LYS A 19 4.382 -2.561 -12.982 1.00 0.00 C ATOM 302 O LYS A 19 5.187 -2.963 -13.822 1.00 0.00 O ATOM 303 CB LYS A 19 3.740 -4.448 -11.465 1.00 0.00 C ATOM 304 CG LYS A 19 2.253 -4.403 -11.777 1.00 0.00 C ATOM 305 CD LYS A 19 1.895 -5.316 -12.939 1.00 0.00 C ATOM 306 CE LYS A 19 2.000 -6.782 -12.550 1.00 0.00 C ATOM 307 NZ LYS A 19 0.910 -7.191 -11.621 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.906 -2.456 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 19 5.468 -3.188 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.228 -5.132 -12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.881 -4.855 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.687 -4.699 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.962 -3.380 -12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.881 -5.099 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.558 -5.113 -13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.962 -7.399 -13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.966 -6.964 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.904 -8.227 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.069 -6.760 -10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.005 -6.873 -11.998 1.00 0.00 H new ATOM 321 N ALA A 20 3.437 -1.668 -13.256 1.00 0.00 N ATOM 322 CA ALA A 20 3.289 -1.095 -14.588 1.00 0.00 C ATOM 323 C ALA A 20 4.246 0.073 -14.802 1.00 0.00 C ATOM 324 O ALA A 20 4.541 0.443 -15.939 1.00 0.00 O ATOM 325 CB ALA A 20 1.851 -0.650 -14.809 1.00 0.00 C ATOM 0 H ALA A 20 2.762 -1.325 -12.572 1.00 0.00 H new ATOM 0 HA ALA A 20 3.540 -1.866 -15.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.751 -0.223 -15.807 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.186 -1.508 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.584 0.101 -14.065 1.00 0.00 H new ATOM 331 N LEU A 21 4.730 0.654 -13.706 1.00 0.00 N ATOM 332 CA LEU A 21 5.652 1.780 -13.785 1.00 0.00 C ATOM 333 C LEU A 21 7.055 1.316 -14.183 1.00 0.00 C ATOM 334 O LEU A 21 7.871 2.110 -14.650 1.00 0.00 O ATOM 335 CB LEU A 21 5.680 2.538 -12.448 1.00 0.00 C ATOM 336 CG LEU A 21 6.827 2.186 -11.492 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.934 3.226 -11.591 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.317 2.081 -10.060 1.00 0.00 C ATOM 0 H LEU A 21 4.499 0.363 -12.756 1.00 0.00 H new ATOM 0 HA LEU A 21 5.299 2.460 -14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.727 3.606 -12.661 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.737 2.357 -11.932 1.00 0.00 H new ATOM 0 HG LEU A 21 7.235 1.217 -11.781 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.742 2.964 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.317 3.254 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.537 4.206 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.145 1.831 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.885 3.035 -9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.556 1.303 -10.001 1.00 0.00 H new ATOM 350 N GLY A 22 7.326 0.027 -13.995 1.00 0.00 N ATOM 351 CA GLY A 22 8.627 -0.517 -14.340 1.00 0.00 C ATOM 352 C GLY A 22 8.832 -1.915 -13.791 1.00 0.00 C ATOM 353 O GLY A 22 7.875 -2.674 -13.636 1.00 0.00 O ATOM 0 H GLY A 22 6.667 -0.650 -13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.734 -0.536 -15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.407 0.140 -13.954 1.00 0.00 H new ATOM 357 N GLY A 23 10.083 -2.258 -13.497 1.00 0.00 N ATOM 358 CA GLY A 23 10.383 -3.574 -12.966 1.00 0.00 C ATOM 359 C GLY A 23 11.830 -3.972 -13.181 1.00 0.00 C ATOM 360 O GLY A 23 12.185 -4.499 -14.236 1.00 0.00 O ATOM 0 H GLY A 23 10.892 -1.649 -13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.160 -3.591 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.733 -4.310 -13.440 1.00 0.00 H new ATOM 364 N GLY A 24 12.668 -3.722 -12.180 1.00 0.00 N ATOM 365 CA GLY A 24 14.073 -4.068 -12.287 1.00 0.00 C ATOM 366 C GLY A 24 14.944 -3.280 -11.328 1.00 0.00 C ATOM 367 O GLY A 24 15.832 -2.540 -11.752 1.00 0.00 O ATOM 0 H GLY A 24 12.399 -3.286 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.197 -5.133 -12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.410 -3.890 -13.308 1.00 0.00 H new ATOM 371 N GLY A 25 14.692 -3.440 -10.033 1.00 0.00 N ATOM 372 CA GLY A 25 15.471 -2.732 -9.033 1.00 0.00 C ATOM 373 C GLY A 25 14.618 -1.850 -8.143 1.00 0.00 C ATOM 374 O GLY A 25 13.995 -2.330 -7.195 1.00 0.00 O ATOM 0 H GLY A 25 13.963 -4.047 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.005 -3.455 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.223 -2.120 -9.531 1.00 0.00 H new ATOM 378 N ARG A 26 14.595 -0.556 -8.445 1.00 0.00 N ATOM 379 CA ARG A 26 13.817 0.401 -7.665 1.00 0.00 C ATOM 380 C ARG A 26 12.343 0.012 -7.629 1.00 0.00 C ATOM 381 O ARG A 26 11.689 0.127 -6.599 1.00 0.00 O ATOM 382 CB ARG A 26 13.965 1.807 -8.251 1.00 0.00 C ATOM 383 CG ARG A 26 13.642 1.884 -9.736 1.00 0.00 C ATOM 384 CD ARG A 26 13.724 3.313 -10.249 1.00 0.00 C ATOM 385 NE ARG A 26 14.942 3.987 -9.805 1.00 0.00 N ATOM 386 CZ ARG A 26 16.155 3.715 -10.279 1.00 0.00 C ATOM 387 NH1 ARG A 26 16.319 2.779 -11.205 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 17.209 4.379 -9.824 1.00 0.00 N ATOM 0 H ARG A 26 15.107 -0.145 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 26 14.201 0.392 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.309 2.489 -7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.986 2.153 -8.091 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.336 1.255 -10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.642 1.489 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.689 3.309 -11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.854 3.872 -9.904 1.00 0.00 H new ATOM 0 HE ARG A 26 14.857 4.709 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.513 2.263 -11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.252 2.575 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.090 5.098 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.139 4.170 -10.187 1.00 0.00 H new ATOM 402 N ILE A 27 11.829 -0.433 -8.769 1.00 0.00 N ATOM 403 CA ILE A 27 10.429 -0.834 -8.889 1.00 0.00 C ATOM 404 C ILE A 27 10.117 -2.098 -8.085 1.00 0.00 C ATOM 405 O ILE A 27 9.061 -2.201 -7.464 1.00 0.00 O ATOM 406 CB ILE A 27 10.035 -1.076 -10.361 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.642 -0.004 -11.267 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.519 -1.090 -10.506 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.176 1.393 -10.933 1.00 0.00 C ATOM 0 H ILE A 27 12.365 -0.526 -9.632 1.00 0.00 H new ATOM 0 HA ILE A 27 9.846 -0.006 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 27 10.427 -2.046 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.728 -0.045 -11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.387 -0.227 -12.303 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.255 -1.262 -11.549 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.102 -1.887 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.114 -0.131 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.644 2.105 -11.613 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.093 1.450 -11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.455 1.634 -9.907 1.00 0.00 H new ATOM 421 N GLU A 28 11.026 -3.070 -8.130 1.00 0.00 N ATOM 422 CA GLU A 28 10.836 -4.346 -7.436 1.00 0.00 C ATOM 423 C GLU A 28 10.821 -4.195 -5.914 1.00 0.00 C ATOM 424 O GLU A 28 10.050 -4.864 -5.227 1.00 0.00 O ATOM 425 CB GLU A 28 11.932 -5.331 -7.845 1.00 0.00 C ATOM 426 CG GLU A 28 11.743 -5.907 -9.238 1.00 0.00 C ATOM 427 CD GLU A 28 10.390 -6.567 -9.418 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.408 -5.844 -9.686 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 10.312 -7.807 -9.290 1.00 0.00 O ATOM 0 H GLU A 28 11.906 -2.999 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 28 9.859 -4.727 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.898 -4.828 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.962 -6.148 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.856 -5.111 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.528 -6.637 -9.435 1.00 0.00 H new ATOM 436 N GLU A 29 11.684 -3.337 -5.389 1.00 0.00 N ATOM 437 CA GLU A 29 11.770 -3.125 -3.945 1.00 0.00 C ATOM 438 C GLU A 29 10.533 -2.411 -3.404 1.00 0.00 C ATOM 439 O GLU A 29 10.062 -2.704 -2.304 1.00 0.00 O ATOM 440 CB GLU A 29 13.025 -2.320 -3.603 1.00 0.00 C ATOM 441 CG GLU A 29 13.112 -0.987 -4.328 1.00 0.00 C ATOM 442 CD GLU A 29 14.163 -0.068 -3.735 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.258 0.000 -2.491 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.891 0.582 -4.514 1.00 0.00 O1- ATOM 0 H GLU A 29 12.335 -2.775 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 29 11.826 -4.105 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.050 -2.141 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.905 -2.915 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.340 -1.164 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.141 -0.494 -4.291 1.00 0.00 H new ATOM 451 N LEU A 30 10.031 -1.457 -4.174 1.00 0.00 N ATOM 452 CA LEU A 30 8.873 -0.667 -3.786 1.00 0.00 C ATOM 453 C LEU A 30 7.638 -1.536 -3.557 1.00 0.00 C ATOM 454 O LEU A 30 6.934 -1.380 -2.558 1.00 0.00 O ATOM 455 CB LEU A 30 8.594 0.351 -4.889 1.00 0.00 C ATOM 456 CG LEU A 30 8.373 1.788 -4.425 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.683 2.402 -3.959 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.769 2.610 -5.552 1.00 0.00 C ATOM 0 H LEU A 30 10.415 -1.209 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 30 9.092 -0.167 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.430 0.339 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.712 0.028 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 30 7.679 1.784 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.508 3.427 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.083 1.819 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.398 2.401 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.614 3.634 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.446 2.609 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.813 2.177 -5.846 1.00 0.00 H new ATOM 470 N LYS A 31 7.377 -2.446 -4.487 1.00 0.00 N ATOM 471 CA LYS A 31 6.222 -3.337 -4.384 1.00 0.00 C ATOM 472 C LYS A 31 6.359 -4.300 -3.214 1.00 0.00 C ATOM 473 O LYS A 31 5.366 -4.662 -2.590 1.00 0.00 O ATOM 474 CB LYS A 31 5.976 -4.111 -5.682 1.00 0.00 C ATOM 475 CG LYS A 31 7.215 -4.337 -6.535 1.00 0.00 C ATOM 476 CD LYS A 31 7.142 -5.659 -7.282 1.00 0.00 C ATOM 477 CE LYS A 31 6.201 -5.577 -8.474 1.00 0.00 C ATOM 478 NZ LYS A 31 5.369 -6.804 -8.614 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.947 -2.589 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 31 5.356 -2.700 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.541 -5.079 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.237 -3.572 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.321 -3.520 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.102 -4.324 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.138 -5.940 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.804 -6.443 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.551 -4.709 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.781 -5.427 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.742 -6.706 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.988 -7.630 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.795 -6.934 -7.756 1.00 0.00 H new ATOM 492 N LYS A 32 7.585 -4.725 -2.925 1.00 0.00 N ATOM 493 CA LYS A 32 7.825 -5.661 -1.830 1.00 0.00 C ATOM 494 C LYS A 32 7.277 -5.103 -0.521 1.00 0.00 C ATOM 495 O LYS A 32 6.686 -5.830 0.277 1.00 0.00 O ATOM 496 CB LYS A 32 9.321 -5.946 -1.692 1.00 0.00 C ATOM 497 CG LYS A 32 9.851 -6.932 -2.721 1.00 0.00 C ATOM 498 CD LYS A 32 11.297 -7.303 -2.442 1.00 0.00 C ATOM 499 CE LYS A 32 11.395 -8.542 -1.568 1.00 0.00 C ATOM 500 NZ LYS A 32 12.551 -8.474 -0.632 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.424 -4.439 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 32 7.308 -6.594 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.871 -5.009 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.517 -6.336 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.236 -7.832 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.771 -6.498 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.817 -7.479 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.799 -6.469 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.473 -8.657 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.492 -9.425 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.581 -9.338 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.433 -8.390 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.447 -7.646 -0.011 1.00 0.00 H new ATOM 514 N LYS A 33 7.457 -3.804 -0.318 1.00 0.00 N ATOM 515 CA LYS A 33 6.961 -3.144 0.882 1.00 0.00 C ATOM 516 C LYS A 33 5.437 -3.156 0.891 1.00 0.00 C ATOM 517 O LYS A 33 4.809 -3.277 1.944 1.00 0.00 O ATOM 518 CB LYS A 33 7.476 -1.705 0.952 1.00 0.00 C ATOM 519 CG LYS A 33 7.326 -1.071 2.326 1.00 0.00 C ATOM 520 CD LYS A 33 6.853 0.370 2.229 1.00 0.00 C ATOM 521 CE LYS A 33 7.976 1.297 1.791 1.00 0.00 C ATOM 522 NZ LYS A 33 7.801 2.675 2.325 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.943 -3.187 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 33 7.326 -3.686 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.528 -1.690 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.939 -1.100 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.616 -1.648 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.281 -1.106 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.028 0.436 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.469 0.694 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.931 0.895 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.013 1.332 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.587 3.275 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.902 3.069 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.791 2.646 3.365 1.00 0.00 H new ATOM 536 N TYR A 34 4.852 -3.023 -0.295 1.00 0.00 N ATOM 537 CA TYR A 34 3.402 -3.013 -0.446 1.00 0.00 C ATOM 538 C TYR A 34 2.771 -4.279 0.131 1.00 0.00 C ATOM 539 O TYR A 34 1.694 -4.223 0.720 1.00 0.00 O ATOM 540 CB TYR A 34 3.021 -2.856 -1.924 1.00 0.00 C ATOM 541 CG TYR A 34 2.173 -1.634 -2.194 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.874 -1.548 -1.710 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.673 -0.566 -2.927 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.098 -0.430 -1.948 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.902 0.556 -3.169 1.00 0.00 C ATOM 546 CZ TYR A 34 0.616 0.618 -2.677 1.00 0.00 C ATOM 547 OH TYR A 34 -0.154 1.733 -2.908 1.00 0.00 O ATOM 0 H TYR A 34 5.364 -2.920 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 34 3.015 -2.162 0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.930 -2.799 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.480 -3.745 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.464 -2.368 -1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.680 -0.612 -3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.910 -0.378 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.305 1.379 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 34 0.418 2.529 -2.920 1.00 0.00 H new ATOM 557 N GLU A 35 3.441 -5.416 -0.040 1.00 0.00 N ATOM 558 CA GLU A 35 2.935 -6.687 0.468 1.00 0.00 C ATOM 559 C GLU A 35 2.694 -6.616 1.972 1.00 0.00 C ATOM 560 O GLU A 35 1.679 -7.100 2.473 1.00 0.00 O ATOM 561 CB GLU A 35 3.921 -7.814 0.152 1.00 0.00 C ATOM 562 CG GLU A 35 4.366 -7.843 -1.301 1.00 0.00 C ATOM 563 CD GLU A 35 4.765 -9.232 -1.760 1.00 0.00 C ATOM 564 OE1 GLU A 35 5.772 -9.763 -1.245 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 4.070 -9.790 -2.636 1.00 0.00 O ATOM 0 H GLU A 35 4.335 -5.483 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 35 1.985 -6.894 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.798 -7.707 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.460 -8.770 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.558 -7.474 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.209 -7.165 -1.433 1.00 0.00 H new ATOM 572 N GLU A 36 3.632 -6.001 2.686 1.00 0.00 N ATOM 573 CA GLU A 36 3.522 -5.857 4.132 1.00 0.00 C ATOM 574 C GLU A 36 2.241 -5.116 4.499 1.00 0.00 C ATOM 575 O GLU A 36 1.594 -5.429 5.496 1.00 0.00 O ATOM 576 CB GLU A 36 4.736 -5.109 4.687 1.00 0.00 C ATOM 577 CG GLU A 36 5.169 -5.589 6.062 1.00 0.00 C ATOM 578 CD GLU A 36 6.465 -4.949 6.521 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.416 -3.814 7.040 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 7.530 -5.583 6.362 1.00 0.00 O ATOM 0 H GLU A 36 4.477 -5.594 2.285 1.00 0.00 H new ATOM 0 HA GLU A 36 3.489 -6.853 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.569 -5.220 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.504 -4.045 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.383 -5.368 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.289 -6.672 6.044 1.00 0.00 H new ATOM 587 N LEU A 37 1.891 -4.128 3.684 1.00 0.00 N ATOM 588 CA LEU A 37 0.695 -3.323 3.905 1.00 0.00 C ATOM 589 C LEU A 37 -0.565 -4.186 3.925 1.00 0.00 C ATOM 590 O LEU A 37 -1.430 -4.022 4.784 1.00 0.00 O ATOM 591 CB LEU A 37 0.587 -2.275 2.792 1.00 0.00 C ATOM 592 CG LEU A 37 0.644 -0.817 3.241 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.737 -0.327 3.651 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.637 -0.634 4.381 1.00 0.00 C ATOM 0 H LEU A 37 2.424 -3.863 2.856 1.00 0.00 H new ATOM 0 HA LEU A 37 0.780 -2.836 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.393 -2.447 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.350 -2.434 2.259 1.00 0.00 H new ATOM 0 HG LEU A 37 0.986 -0.219 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.674 0.714 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.418 -0.408 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.109 -0.935 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.657 0.414 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.335 -1.249 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.631 -0.936 4.050 1.00 0.00 H new ATOM 606 N LYS A 38 -0.660 -5.096 2.967 1.00 0.00 N ATOM 607 CA LYS A 38 -1.811 -5.986 2.854 1.00 0.00 C ATOM 608 C LYS A 38 -2.052 -6.765 4.145 1.00 0.00 C ATOM 609 O LYS A 38 -3.193 -6.978 4.545 1.00 0.00 O ATOM 610 CB LYS A 38 -1.611 -6.960 1.692 1.00 0.00 C ATOM 611 CG LYS A 38 -1.324 -6.275 0.366 1.00 0.00 C ATOM 612 CD LYS A 38 -1.233 -7.280 -0.772 1.00 0.00 C ATOM 613 CE LYS A 38 -0.110 -8.280 -0.547 1.00 0.00 C ATOM 614 NZ LYS A 38 0.874 -8.270 -1.665 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.051 -5.240 2.250 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.688 -5.367 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.787 -7.632 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.504 -7.576 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.110 -5.551 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.389 -5.719 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.180 -7.811 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.069 -6.753 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.400 -8.049 0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.530 -9.280 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.713 -8.821 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.442 -8.692 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.155 -7.290 -1.872 1.00 0.00 H new ATOM 628 N LYS A 39 -0.969 -7.206 4.777 1.00 0.00 N ATOM 629 CA LYS A 39 -1.053 -7.984 6.011 1.00 0.00 C ATOM 630 C LYS A 39 -1.611 -7.163 7.175 1.00 0.00 C ATOM 631 O LYS A 39 -2.351 -7.683 8.007 1.00 0.00 O ATOM 632 CB LYS A 39 0.327 -8.535 6.379 1.00 0.00 C ATOM 633 CG LYS A 39 0.521 -9.993 5.993 1.00 0.00 C ATOM 634 CD LYS A 39 1.872 -10.222 5.333 1.00 0.00 C ATOM 635 CE LYS A 39 1.778 -11.227 4.197 1.00 0.00 C ATOM 636 NZ LYS A 39 2.516 -10.770 2.987 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.017 -7.037 4.453 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.743 -8.808 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.092 -7.933 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.477 -8.429 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.438 -10.619 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.274 -10.299 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.256 -9.276 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.585 -10.579 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.179 -12.185 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.731 -11.390 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.427 -11.484 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.117 -9.868 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.521 -10.638 3.222 1.00 0.00 H new ATOM 650 N LYS A 40 -1.238 -5.888 7.243 1.00 0.00 N ATOM 651 CA LYS A 40 -1.690 -5.011 8.322 1.00 0.00 C ATOM 652 C LYS A 40 -3.206 -4.832 8.303 1.00 0.00 C ATOM 653 O LYS A 40 -3.845 -4.742 9.350 1.00 0.00 O ATOM 654 CB LYS A 40 -1.003 -3.647 8.215 1.00 0.00 C ATOM 655 CG LYS A 40 -0.436 -3.145 9.533 1.00 0.00 C ATOM 656 CD LYS A 40 0.775 -2.253 9.312 1.00 0.00 C ATOM 657 CE LYS A 40 2.051 -3.069 9.191 1.00 0.00 C ATOM 658 NZ LYS A 40 2.111 -3.818 7.905 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.624 -5.438 6.564 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.419 -5.481 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.197 -3.712 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.719 -2.918 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.204 -2.591 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.156 -3.994 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.633 -1.661 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.868 -1.551 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.914 -2.407 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.114 -3.770 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.086 -4.137 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.480 -4.643 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.809 -3.197 7.127 1.00 0.00 H new ATOM 672 N ILE A 41 -3.774 -4.779 7.106 1.00 0.00 N ATOM 673 CA ILE A 41 -5.213 -4.612 6.944 1.00 0.00 C ATOM 674 C ILE A 41 -5.956 -5.876 7.357 1.00 0.00 C ATOM 675 O ILE A 41 -7.057 -5.817 7.903 1.00 0.00 O ATOM 676 CB ILE A 41 -5.572 -4.264 5.486 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.748 -3.066 5.009 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.062 -3.977 5.353 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.539 -3.034 3.511 1.00 0.00 C ATOM 0 H ILE A 41 -3.258 -4.850 6.229 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.518 -3.789 7.590 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.334 -5.122 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.246 -2.147 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.776 -3.084 5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.295 -3.734 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.630 -4.857 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.329 -3.135 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.947 -2.158 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.014 -3.936 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.506 -2.985 3.010 1.00 0.00 H new ATOM 691 N GLU A 42 -5.335 -7.017 7.091 1.00 0.00 N ATOM 692 CA GLU A 42 -5.914 -8.308 7.427 1.00 0.00 C ATOM 693 C GLU A 42 -6.100 -8.441 8.934 1.00 0.00 C ATOM 694 O GLU A 42 -7.046 -9.077 9.400 1.00 0.00 O ATOM 695 CB GLU A 42 -5.021 -9.437 6.907 1.00 0.00 C ATOM 696 CG GLU A 42 -5.514 -10.050 5.607 1.00 0.00 C ATOM 697 CD GLU A 42 -4.804 -11.346 5.268 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.578 -11.306 5.028 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.472 -12.401 5.242 1.00 0.00 O ATOM 0 H GLU A 42 -4.422 -7.073 6.639 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.892 -8.380 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.012 -9.052 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.956 -10.217 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.586 -10.235 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.369 -9.337 4.795 1.00 0.00 H new ATOM 706 N GLU A 43 -5.188 -7.841 9.692 1.00 0.00 N ATOM 707 CA GLU A 43 -5.252 -7.899 11.148 1.00 0.00 C ATOM 708 C GLU A 43 -6.295 -6.928 11.690 1.00 0.00 C ATOM 709 O GLU A 43 -6.859 -7.142 12.763 1.00 0.00 O ATOM 710 CB GLU A 43 -3.878 -7.603 11.759 1.00 0.00 C ATOM 711 CG GLU A 43 -3.436 -6.153 11.627 1.00 0.00 C ATOM 712 CD GLU A 43 -2.793 -5.624 12.895 1.00 0.00 C ATOM 713 OE1 GLU A 43 -3.281 -5.963 13.994 1.00 0.00 O ATOM 714 OE2 GLU A 43 -1.801 -4.872 12.788 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.398 -7.311 9.324 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.550 -8.909 11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.897 -7.870 12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.135 -8.242 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.730 -6.066 10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.298 -5.535 11.376 1.00 0.00 H new ATOM 721 N LEU A 44 -6.547 -5.860 10.941 1.00 0.00 N ATOM 722 CA LEU A 44 -7.524 -4.857 11.346 1.00 0.00 C ATOM 723 C LEU A 44 -8.922 -5.463 11.425 1.00 0.00 C ATOM 724 O LEU A 44 -9.401 -6.072 10.467 1.00 0.00 O ATOM 725 CB LEU A 44 -7.513 -3.681 10.365 1.00 0.00 C ATOM 726 CG LEU A 44 -6.722 -2.460 10.832 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.272 -1.628 9.643 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.557 -1.620 11.788 1.00 0.00 C ATOM 0 H LEU A 44 -6.088 -5.667 10.051 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.251 -4.494 12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.099 -4.022 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.542 -3.377 10.173 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.835 -2.806 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.710 -0.763 9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.638 -2.233 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.145 -1.290 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.979 -0.754 12.111 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.462 -1.284 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.829 -2.220 12.657 1.00 0.00 H new ATOM 740 N GLY A 45 -9.571 -5.293 12.571 1.00 0.00 N ATOM 741 CA GLY A 45 -10.908 -5.830 12.754 1.00 0.00 C ATOM 742 C GLY A 45 -11.948 -4.745 12.950 1.00 0.00 C ATOM 743 O GLY A 45 -12.716 -4.441 12.038 1.00 0.00 O ATOM 0 H GLY A 45 -9.196 -4.793 13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.176 -6.433 11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.914 -6.495 13.618 1.00 0.00 H new ATOM 747 N GLY A 46 -11.974 -4.162 14.144 1.00 0.00 N ATOM 748 CA GLY A 46 -12.934 -3.112 14.435 1.00 0.00 C ATOM 749 C GLY A 46 -12.646 -1.835 13.671 1.00 0.00 C ATOM 750 O GLY A 46 -13.302 -1.540 12.672 1.00 0.00 O ATOM 0 H GLY A 46 -11.349 -4.397 14.915 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.936 -3.462 14.187 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.925 -2.902 15.504 1.00 0.00 H new ATOM 754 N GLY A 47 -11.662 -1.075 14.141 1.00 0.00 N ATOM 755 CA GLY A 47 -11.307 0.169 13.482 1.00 0.00 C ATOM 756 C GLY A 47 -10.276 0.962 14.259 1.00 0.00 C ATOM 757 O GLY A 47 -9.593 0.423 15.130 1.00 0.00 O ATOM 0 H GLY A 47 -11.104 -1.298 14.966 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.919 -0.048 12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.203 0.775 13.350 1.00 0.00 H new ATOM 761 N GLY A 48 -10.161 2.248 13.942 1.00 0.00 N ATOM 762 CA GLY A 48 -9.203 3.098 14.626 1.00 0.00 C ATOM 763 C GLY A 48 -7.855 3.130 13.931 1.00 0.00 C ATOM 764 O GLY A 48 -7.296 4.201 13.696 1.00 0.00 O ATOM 0 H GLY A 48 -10.714 2.717 13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.600 4.111 14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.073 2.744 15.648 1.00 0.00 H new ATOM 768 N GLU A 49 -7.334 1.952 13.603 1.00 0.00 N ATOM 769 CA GLU A 49 -6.044 1.847 12.932 1.00 0.00 C ATOM 770 C GLU A 49 -6.208 1.851 11.412 1.00 0.00 C ATOM 771 O GLU A 49 -5.241 2.059 10.679 1.00 0.00 O ATOM 772 CB GLU A 49 -5.317 0.575 13.374 1.00 0.00 C ATOM 773 CG GLU A 49 -3.947 0.403 12.737 1.00 0.00 C ATOM 774 CD GLU A 49 -2.926 -0.171 13.699 1.00 0.00 C ATOM 775 OE1 GLU A 49 -2.772 0.388 14.806 1.00 0.00 O ATOM 776 OE2 GLU A 49 -2.281 -1.182 13.347 1.00 0.00 O1- ATOM 0 H GLU A 49 -7.786 1.057 13.791 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.450 2.716 13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.205 0.589 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.934 -0.290 13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.033 -0.252 11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.596 1.368 12.373 1.00 0.00 H new ATOM 783 N VAL A 50 -7.432 1.621 10.942 1.00 0.00 N ATOM 784 CA VAL A 50 -7.709 1.600 9.510 1.00 0.00 C ATOM 785 C VAL A 50 -7.242 2.888 8.840 1.00 0.00 C ATOM 786 O VAL A 50 -6.764 2.868 7.706 1.00 0.00 O ATOM 787 CB VAL A 50 -9.211 1.402 9.228 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.610 -0.047 9.462 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.049 2.340 10.084 1.00 0.00 C ATOM 0 H VAL A 50 -8.246 1.447 11.532 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.157 0.757 9.095 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.399 1.644 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.674 -0.169 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.037 -0.694 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.406 -0.318 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.106 2.183 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.860 2.137 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.783 3.373 9.860 1.00 0.00 H new ATOM 799 N LYS A 51 -7.377 4.004 9.549 1.00 0.00 N ATOM 800 CA LYS A 51 -6.961 5.298 9.020 1.00 0.00 C ATOM 801 C LYS A 51 -5.441 5.366 8.911 1.00 0.00 C ATOM 802 O LYS A 51 -4.901 5.913 7.949 1.00 0.00 O ATOM 803 CB LYS A 51 -7.476 6.428 9.914 1.00 0.00 C ATOM 804 CG LYS A 51 -8.636 7.202 9.308 1.00 0.00 C ATOM 805 CD LYS A 51 -9.820 6.293 9.016 1.00 0.00 C ATOM 806 CE LYS A 51 -10.476 6.639 7.689 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.867 6.118 7.604 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.770 4.039 10.489 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.387 5.416 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.789 6.009 10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.658 7.118 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.943 7.993 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.311 7.685 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.487 5.255 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.553 6.379 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.485 7.721 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.883 6.226 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.278 6.375 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.856 5.083 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.440 6.531 8.367 1.00 0.00 H new ATOM 821 N LYS A 52 -4.759 4.801 9.901 1.00 0.00 N ATOM 822 CA LYS A 52 -3.301 4.787 9.921 1.00 0.00 C ATOM 823 C LYS A 52 -2.750 4.026 8.719 1.00 0.00 C ATOM 824 O LYS A 52 -1.691 4.359 8.193 1.00 0.00 O ATOM 825 CB LYS A 52 -2.794 4.155 11.221 1.00 0.00 C ATOM 826 CG LYS A 52 -1.623 4.899 11.843 1.00 0.00 C ATOM 827 CD LYS A 52 -0.571 3.938 12.374 1.00 0.00 C ATOM 828 CE LYS A 52 0.092 4.479 13.630 1.00 0.00 C ATOM 829 NZ LYS A 52 1.424 3.855 13.869 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.194 4.345 10.703 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.949 5.817 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.612 4.117 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.496 3.126 11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.173 5.558 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.982 5.532 12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.033 2.975 12.591 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.185 3.764 11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.208 5.559 13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.554 4.296 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.843 4.251 14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.311 2.827 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.049 4.051 13.061 1.00 0.00 H new ATOM 843 N VAL A 53 -3.475 2.996 8.299 1.00 0.00 N ATOM 844 CA VAL A 53 -3.066 2.175 7.166 1.00 0.00 C ATOM 845 C VAL A 53 -3.158 2.945 5.851 1.00 0.00 C ATOM 846 O VAL A 53 -2.312 2.789 4.976 1.00 0.00 O ATOM 847 CB VAL A 53 -3.928 0.900 7.063 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.443 0.008 5.931 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.922 0.148 8.385 1.00 0.00 C ATOM 0 H VAL A 53 -4.354 2.708 8.729 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.027 1.897 7.340 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.953 1.196 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.066 -0.885 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.506 0.551 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.408 -0.282 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.535 -0.749 8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.900 -0.134 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.327 0.788 9.169 1.00 0.00 H new ATOM 859 N GLU A 54 -4.197 3.762 5.710 1.00 0.00 N ATOM 860 CA GLU A 54 -4.403 4.541 4.490 1.00 0.00 C ATOM 861 C GLU A 54 -3.238 5.495 4.225 1.00 0.00 C ATOM 862 O GLU A 54 -2.790 5.635 3.088 1.00 0.00 O ATOM 863 CB GLU A 54 -5.709 5.330 4.582 1.00 0.00 C ATOM 864 CG GLU A 54 -6.935 4.455 4.794 1.00 0.00 C ATOM 865 CD GLU A 54 -8.227 5.249 4.790 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.228 6.383 5.313 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.237 4.736 4.265 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.911 3.903 6.425 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.459 3.840 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.636 6.043 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.840 5.909 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.976 3.698 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.840 3.927 5.743 1.00 0.00 H new ATOM 874 N GLU A 55 -2.762 6.155 5.274 1.00 0.00 N ATOM 875 CA GLU A 55 -1.656 7.103 5.150 1.00 0.00 C ATOM 876 C GLU A 55 -0.352 6.397 4.777 1.00 0.00 C ATOM 877 O GLU A 55 0.471 6.940 4.039 1.00 0.00 O ATOM 878 CB GLU A 55 -1.486 7.909 6.446 1.00 0.00 C ATOM 879 CG GLU A 55 -0.808 7.148 7.576 1.00 0.00 C ATOM 880 CD GLU A 55 0.603 7.636 7.843 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.817 8.866 7.837 1.00 0.00 O ATOM 882 OE2 GLU A 55 1.494 6.787 8.058 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.124 6.052 6.222 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.900 7.793 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.905 8.805 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.468 8.240 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.402 7.249 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.781 6.087 7.329 1.00 0.00 H new ATOM 889 N GLU A 56 -0.163 5.195 5.309 1.00 0.00 N ATOM 890 CA GLU A 56 1.046 4.418 5.058 1.00 0.00 C ATOM 891 C GLU A 56 1.250 4.151 3.567 1.00 0.00 C ATOM 892 O GLU A 56 2.353 4.312 3.045 1.00 0.00 O ATOM 893 CB GLU A 56 0.965 3.090 5.814 1.00 0.00 C ATOM 894 CG GLU A 56 1.750 3.078 7.112 1.00 0.00 C ATOM 895 CD GLU A 56 3.241 3.241 6.894 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.708 4.397 6.823 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.943 2.211 6.795 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.836 4.734 5.921 1.00 0.00 H new ATOM 0 HA GLU A 56 1.898 4.999 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.080 2.868 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.334 2.292 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.391 3.880 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.564 2.141 7.636 1.00 0.00 H new ATOM 904 N VAL A 57 0.186 3.739 2.890 1.00 0.00 N ATOM 905 CA VAL A 57 0.254 3.446 1.464 1.00 0.00 C ATOM 906 C VAL A 57 0.513 4.712 0.650 1.00 0.00 C ATOM 907 O VAL A 57 1.208 4.677 -0.365 1.00 0.00 O ATOM 908 CB VAL A 57 -1.033 2.749 0.963 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.120 3.761 0.622 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.722 1.866 -0.237 1.00 0.00 C ATOM 0 H VAL A 57 -0.735 3.600 3.306 1.00 0.00 H new ATOM 0 HA VAL A 57 1.091 2.762 1.320 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.412 2.122 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.009 3.236 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.367 4.343 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.762 4.429 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.637 1.382 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.312 2.477 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.006 1.106 0.049 1.00 0.00 H new ATOM 920 N LYS A 58 -0.056 5.826 1.100 1.00 0.00 N ATOM 921 CA LYS A 58 0.108 7.105 0.414 1.00 0.00 C ATOM 922 C LYS A 58 1.585 7.438 0.232 1.00 0.00 C ATOM 923 O LYS A 58 1.977 8.048 -0.761 1.00 0.00 O ATOM 924 CB LYS A 58 -0.590 8.218 1.198 1.00 0.00 C ATOM 925 CG LYS A 58 -1.555 9.040 0.358 1.00 0.00 C ATOM 926 CD LYS A 58 -0.969 10.397 0.001 1.00 0.00 C ATOM 927 CE LYS A 58 -0.842 11.288 1.227 1.00 0.00 C ATOM 928 NZ LYS A 58 0.440 12.047 1.231 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.636 5.870 1.938 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.349 7.025 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.133 7.777 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.164 8.880 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.798 8.496 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.488 9.178 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.012 10.263 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.602 10.884 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.678 11.987 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.905 10.678 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.488 12.642 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.238 11.380 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.490 12.649 0.384 1.00 0.00 H new ATOM 942 N LYS A 59 2.400 7.034 1.197 1.00 0.00 N ATOM 943 CA LYS A 59 3.835 7.281 1.143 1.00 0.00 C ATOM 944 C LYS A 59 4.491 6.465 0.029 1.00 0.00 C ATOM 945 O LYS A 59 5.420 6.930 -0.632 1.00 0.00 O ATOM 946 CB LYS A 59 4.482 6.943 2.486 1.00 0.00 C ATOM 947 CG LYS A 59 3.802 7.609 3.672 1.00 0.00 C ATOM 948 CD LYS A 59 4.285 7.029 4.991 1.00 0.00 C ATOM 949 CE LYS A 59 3.561 7.656 6.172 1.00 0.00 C ATOM 950 NZ LYS A 59 4.045 9.036 6.451 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.091 6.532 2.029 1.00 0.00 H new ATOM 0 HA LYS A 59 3.987 8.339 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.464 5.862 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.529 7.244 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.000 8.681 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.722 7.482 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.126 5.951 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.358 7.193 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.490 7.681 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.704 7.035 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.527 9.428 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.062 9.010 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.885 9.635 5.616 1.00 0.00 H new ATOM 964 N LEU A 60 4.014 5.236 -0.154 1.00 0.00 N ATOM 965 CA LEU A 60 4.562 4.331 -1.164 1.00 0.00 C ATOM 966 C LEU A 60 4.469 4.912 -2.576 1.00 0.00 C ATOM 967 O LEU A 60 5.428 4.844 -3.344 1.00 0.00 O ATOM 968 CB LEU A 60 3.827 2.990 -1.110 1.00 0.00 C ATOM 969 CG LEU A 60 4.658 1.774 -1.521 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.029 1.854 -2.993 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.908 1.667 -0.659 1.00 0.00 C ATOM 0 H LEU A 60 3.245 4.841 0.387 1.00 0.00 H new ATOM 0 HA LEU A 60 5.619 4.190 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.463 2.834 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.952 3.047 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 60 4.057 0.878 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.620 0.980 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.121 1.882 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.612 2.757 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.488 0.796 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.512 2.566 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.621 1.562 0.387 1.00 0.00 H new ATOM 983 N GLU A 61 3.314 5.474 -2.921 1.00 0.00 N ATOM 984 CA GLU A 61 3.117 6.051 -4.249 1.00 0.00 C ATOM 985 C GLU A 61 3.956 7.311 -4.430 1.00 0.00 C ATOM 986 O GLU A 61 4.433 7.597 -5.527 1.00 0.00 O ATOM 987 CB GLU A 61 1.637 6.361 -4.498 1.00 0.00 C ATOM 988 CG GLU A 61 0.989 7.191 -3.404 1.00 0.00 C ATOM 989 CD GLU A 61 0.967 8.671 -3.728 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.960 9.170 -4.296 1.00 0.00 O ATOM 991 OE2 GLU A 61 -0.044 9.334 -3.413 1.00 0.00 O1- ATOM 0 H GLU A 61 2.504 5.543 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 61 3.444 5.312 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.541 6.890 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.092 5.423 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.032 6.843 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.527 7.036 -2.469 1.00 0.00 H new ATOM 998 N GLU A 62 4.133 8.061 -3.347 1.00 0.00 N ATOM 999 CA GLU A 62 4.917 9.291 -3.386 1.00 0.00 C ATOM 1000 C GLU A 62 6.320 9.015 -3.910 1.00 0.00 C ATOM 1001 O GLU A 62 6.886 9.813 -4.658 1.00 0.00 O ATOM 1002 CB GLU A 62 4.994 9.920 -1.993 1.00 0.00 C ATOM 1003 CG GLU A 62 3.726 10.650 -1.584 1.00 0.00 C ATOM 1004 CD GLU A 62 3.610 12.020 -2.224 1.00 0.00 C ATOM 1005 OE1 GLU A 62 3.264 12.087 -3.424 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.863 13.025 -1.528 1.00 0.00 O ATOM 0 H GLU A 62 3.744 7.839 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 62 4.422 9.989 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.206 9.139 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.830 10.618 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.860 10.049 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.706 10.757 -0.499 1.00 0.00 H new ATOM 1013 N GLU A 63 6.871 7.870 -3.521 1.00 0.00 N ATOM 1014 CA GLU A 63 8.202 7.475 -3.959 1.00 0.00 C ATOM 1015 C GLU A 63 8.194 7.152 -5.447 1.00 0.00 C ATOM 1016 O GLU A 63 9.180 7.374 -6.149 1.00 0.00 O ATOM 1017 CB GLU A 63 8.692 6.262 -3.164 1.00 0.00 C ATOM 1018 CG GLU A 63 8.495 6.394 -1.663 1.00 0.00 C ATOM 1019 CD GLU A 63 9.335 7.503 -1.058 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.489 7.681 -1.501 1.00 0.00 O ATOM 1021 OE2 GLU A 63 8.839 8.192 -0.142 1.00 0.00 O1- ATOM 0 H GLU A 63 6.415 7.200 -2.902 1.00 0.00 H new ATOM 0 HA GLU A 63 8.883 8.307 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.166 5.373 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.751 6.108 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.443 6.586 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.748 5.449 -1.183 1.00 0.00 H new ATOM 1028 N ILE A 64 7.070 6.624 -5.921 1.00 0.00 N ATOM 1029 CA ILE A 64 6.925 6.265 -7.329 1.00 0.00 C ATOM 1030 C ILE A 64 7.158 7.473 -8.231 1.00 0.00 C ATOM 1031 O ILE A 64 7.769 7.358 -9.293 1.00 0.00 O ATOM 1032 CB ILE A 64 5.528 5.680 -7.620 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.236 4.503 -6.686 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.426 5.242 -9.075 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.886 3.861 -6.923 1.00 0.00 C ATOM 0 H ILE A 64 6.245 6.435 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 64 7.678 5.506 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 64 4.785 6.457 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.014 3.750 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.289 4.848 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.434 4.832 -9.263 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.593 6.100 -9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.178 4.480 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.748 3.035 -6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.100 4.600 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.836 3.485 -7.945 1.00 0.00 H new ATOM 1047 N LYS A 65 6.667 8.631 -7.804 1.00 0.00 N ATOM 1048 CA LYS A 65 6.823 9.859 -8.577 1.00 0.00 C ATOM 1049 C LYS A 65 8.259 10.366 -8.512 1.00 0.00 C ATOM 1050 O LYS A 65 8.734 11.036 -9.431 1.00 0.00 O ATOM 1051 CB LYS A 65 5.865 10.935 -8.061 1.00 0.00 C ATOM 1052 CG LYS A 65 4.401 10.540 -8.153 1.00 0.00 C ATOM 1053 CD LYS A 65 4.012 10.161 -9.572 1.00 0.00 C ATOM 1054 CE LYS A 65 2.507 10.222 -9.774 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.777 9.404 -8.767 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.158 8.746 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 65 6.584 9.637 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.108 11.158 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.022 11.852 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.207 9.700 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.778 11.367 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.502 10.833 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.369 9.155 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.174 11.258 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.261 9.869 -10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.787 9.291 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.224 8.468 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.810 9.880 -7.843 1.00 0.00 H new ATOM 1069 N LYS A 66 8.948 10.047 -7.421 1.00 0.00 N ATOM 1070 CA LYS A 66 10.330 10.474 -7.235 1.00 0.00 C ATOM 1071 C LYS A 66 11.277 9.700 -8.150 1.00 0.00 C ATOM 1072 O LYS A 66 12.389 10.150 -8.425 1.00 0.00 O ATOM 1073 CB LYS A 66 10.748 10.288 -5.775 1.00 0.00 C ATOM 1074 CG LYS A 66 10.139 11.316 -4.834 1.00 0.00 C ATOM 1075 CD LYS A 66 11.191 11.953 -3.940 1.00 0.00 C ATOM 1076 CE LYS A 66 10.750 13.323 -3.451 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.910 14.229 -3.217 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.571 9.494 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 66 10.392 11.530 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.458 9.290 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.834 10.343 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.639 12.090 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.378 10.839 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.384 11.305 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.129 12.045 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.081 13.772 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.183 13.213 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.567 15.153 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.536 13.813 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.437 14.354 -4.105 1.00 0.00 H new ATOM 1091 N LEU A 67 10.835 8.536 -8.620 1.00 0.00 N ATOM 1092 CA LEU A 67 11.654 7.713 -9.502 1.00 0.00 C ATOM 1093 C LEU A 67 11.200 7.849 -10.954 1.00 0.00 C ATOM 1094 O LEU A 67 10.122 8.436 -11.183 1.00 0.00 O ATOM 1095 CB LEU A 67 11.604 6.243 -9.062 1.00 0.00 C ATOM 1096 CG LEU A 67 10.411 5.437 -9.583 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.701 4.894 -10.976 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.077 4.302 -8.625 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.928 7.369 -11.848 1.00 0.00 O ATOM 0 H LEU A 67 9.918 8.144 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 67 12.684 8.064 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.521 5.753 -9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.595 6.209 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 67 9.548 6.099 -9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.842 4.324 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.892 5.723 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.577 4.246 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.227 3.739 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.938 3.640 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.827 4.713 -7.647 1.00 0.00 H new